(2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid

C11H13O5P — CID 174835391

IUPAC(2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid
SMILESC=CC(=O)C(O)CP(=O)(O)Oc1ccccc1
InChIInChI=1S/C11H13O5P/c1-2-10(12)11(13)8-17(14,15)16-9-6-4-3-5-7-9/h2-7,11,13H,1,8H2,(H,14,15)
InChIKeyLKCQNQCPOANLFZ-UHFFFAOYSA-N
MW256.19 g/mol
LogP1.37
Rot. Bonds6

About (2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid

(2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid (PubChem CID 174835391) has the molecular formula C11H13O5P and a molecular weight of 256.19 g/mol. Its IUPAC name is (2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid.

Molecular Properties

Compound Name(2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid
PubChem CID174835391
Molecular FormulaC11H13O5P
Molecular Weight256.19 g/mol
Exact Mass256.05
IUPAC Name(2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid
SMILESC=CC(=O)C(O)CP(=O)(O)Oc1ccccc1
InChIInChI=1S/C11H13O5P/c1-2-10(12)11(13)8-17(14,15)16-9-6-4-3-5-7-9/h2-7,11,13H,1,8H2,(H,14,15)
InChIKeyLKCQNQCPOANLFZ-UHFFFAOYSA-N
XLogP1.37
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-6-triphenoxysilylhex-1-en-3-one
CID 66628356
(2-hydroxy-3-oxopent-4-enyl) benzoate
CID 174976400
benzyl(phenoxy)phosphinic acid
CID 54071062
12-hydroxytridecyl(phenoxy)phosphinic acid
CID 11360279
tetrasodium;hydride;[hydroxy(phenoxy)phosphoryl]methylphosphonic acid
CID 173412594
2,2-dimethylpropyl(phenoxy)phosphinic acid
CID 20835951
phenoxy(undecyl)phosphinic acid
CID 87383274
sodium;hydride;phenacyl(phenoxy)phosphinic acid
CID 174747840
(S)-diphenoxyphosphoryl(phenyl)methanol
CID 36690824
phosphoric acid;prop-2-enoxybenzene
CID 66665136
5-carbazol-9-yl-4-hydroxypent-1-en-3-one
CID 174669018
[4-(1-hydroxyprop-2-enyl)phenyl] diphenyl phosphate
CID 67678043

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid?
The IUPAC name of (2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid (CID 174835391) is (2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid.
What is the SMILES notation for (2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid?
The canonical SMILES for (2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid is C=CC(=O)C(O)CP(=O)(O)Oc1ccccc1.
What is the InChIKey of (2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid?
The InChIKey is LKCQNQCPOANLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O5P/c1-2-10(12)11(13)8-17(14,15)16-9-6-4-3-5-7-9/h2-7,11,13H,1,8H2,(H,14,15).
What are the key properties of (2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid?
(2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid has a molecular weight of 256.19 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-oxopent-4-enyl)-phenoxyphosphinic acid is sourced from PubChem (CID 174835391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).